2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[2-[(8-chloro-1-naphthyl)thio]acetyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-23(2)19(26)14-24-10-5-11-25(13-12-24)20(27)15-28-18-9-4-7-16-6-3-8-17(22)21(16)18/h3-4,6-9H,5,10-15H2,1-2H3